Compound Identification
SMILES
COC1=CC=C(NC(=S)N(CCC2=C(C)NC3=C2C=C(F)C=C3)CC2=CC=CC=N2)C=C1
InChIKey
InChIKey=YZBBUAPLPXSKGN-UHFFFAOYSA-N
Formula
C25H25FN4OS
Mass
448.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
3-alkylindoles Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - 3-alkylindole - Indole - Indole or derivatives - Methoxyaniline - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Aryl fluoride - Aryl halide - Substituted pyrrole - Pyridine - Heteroaromatic compound - Pyrrole - Thiourea - Ether - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available